1-{[(2S,4S)-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | SB21-1361 |
Compound Name: | 1-{[(2S,4S)-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 442.45 |
Molecular Formula: | C21 H23 F N6 O4 |
Smiles: | Cc1c(COc2ccc(cc2)C(N2C[C@H](C[C@H]2Cn2cc(C(N)=O)nn2)F)=O)c(C)on1 |
Stereo: | ABSOLUTE |
logP: | 0.8891 |
logD: | 0.8891 |
logSw: | -1.4679 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 106.67 |
InChI Key: | MGWAYEOLARQRKQ-JKSUJKDBSA-N |